Alternatived Products of [ 1007541-72-1 ]
Product Details of [ 1007541-72-1 ]
CAS No. : | 1007541-72-1 |
MDL No. : | MFCD08443864 |
Formula : |
C6H8N2O2
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Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | - |
M.W : |
140.14
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Pubchem ID : | - |
Synonyms : |
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Safety of [ 1007541-72-1 ]
Signal Word: | |
Class: | |
Precautionary Statements: | |
UN#: | |
Hazard Statements: | |
Packing Group: | |
Application In Synthesis of [ 1007541-72-1 ]
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
- Downstream synthetic route of [ 1007541-72-1 ]
Yield | Reaction Conditions | Operation in experiment |
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With water; sodium hydroxide In ethanol for 20h; Reflux; |
Intermediate 6A: 5-Iso ropyl-3-methyI-lH-pyrazole-4-carboxylic acid
General procedure: Intermediate 6A: 5-Iso ropyl-3-methyI-lH-pyrazole-4-carboxylic acidEthyl 5-isopropyl-3-methyl-lH-pyrazole-4-carboxylate (WO2009/013211) (2.1 g, 10.7 mmol) was dissolved in ethanohwater (2:1, 10 mL), to it was added sodium hydroxide (857 mg, 21.4 mmol) and refluxed for 20 h. Volatiles were evaporated under reduced pressure. Aqueous layer was diluted with water (20 mL) and extracted with ethyl acetate (2 X 20 mL). Combined organic layer was washed with brine (25 mL), dried over anhydrous sodium sulfate, filtered and concentrated to give 750 mg (73%) of 5 -isopropyl-3 -methyl- 1H- pyrazole-4-carboxylic acid.Ή NMR (400 MHz, CDCI3): δ 1.17 (d, J = 6.9 Hz, 6H), 2.32 (s, 3H), 3.45-3.54 (m, 1H), 12.23 (brs, 2H). MS (ES) m/z 169.1 (M+l). |
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With sodium hydroxide In ethanol; water for 20h; Reflux; |
Intermediate 6A: 5-Isopropyl-3-methyl-1H-pyrazole-4-carboxylic acid
General procedure: Intermediate 6A: 5-Isopropyl-3-methyl-1H-pyrazole-4-carboxylic acid Ethyl 5-isopropyl-3-methyl-1H-pyrazole-4-carboxylate (WO2009/013211) (2.1 g, 10.7 mmol) was dissolved in ethanol:water (2:1, 10 mL), to it was added sodium hydroxide (857 mg, 21.4 mmol) and refluxed for 20 h. Volatiles were evaporated under reduced pressure. Aqueous layer was diluted with water (20 mL) and extracted with ethyl acetate (2*20 mL). Combined organic layer was washed with brine (25 mL), dried over anhydrous sodium sulfate, filtered and concentrated to give 750 mg (73%) of 5-isopropyl-3-methyl-1H-pyrazole-4-carboxylic acid. 1H NMR (400 MHz, CDCl3): δ 1.17 (d, J=6.9 Hz, 6H), 2.32 (s, 3H), 3.45-3.54 (m, 1H), 12.23 (brs, 2H). MS (ES) m/z 169.1 (M+1). |